4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C12H19N3O2S — CID 171049197

IUPAC4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC(C)C
InChIInChI=1S/C12H19N3O2S/c1-8(2)13-11(16)10-9(3)14-12(18-10)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyVOCNSKSZXZRCNU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.43
Rot. Bonds3

About 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 171049197) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID171049197
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC(C)C
InChIInChI=1S/C12H19N3O2S/c1-8(2)13-11(16)10-9(3)14-12(18-10)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyVOCNSKSZXZRCNU-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 171049197) is 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)NC(C)C.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VOCNSKSZXZRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(2)13-11(16)10-9(3)14-12(18-10)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171049197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).